4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide

C21H23FN4O3 — CID 171835384

IUPAC4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide
SMILESCCN(CC)CCOc1ccc(C(=O)Nc2n[nH]c(=O)c3ccc(F)cc23)cc1
InChIInChI=1S/C21H23FN4O3/c1-3-26(4-2)11-12-29-16-8-5-14(6-9-16)20(27)23-19-18-13-15(22)7-10-17(18)21(28)25-24-19/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,28)(H,23,24,27)
InChIKeyUXQMUZCLUDXFMM-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.04
Rot. Bonds8

About 4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide

4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide (PubChem CID 171835384) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide
PubChem CID171835384
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide
SMILESCCN(CC)CCOc1ccc(C(=O)Nc2n[nH]c(=O)c3ccc(F)cc23)cc1
InChIInChI=1S/C21H23FN4O3/c1-3-26(4-2)11-12-29-16-8-5-14(6-9-16)20(27)23-19-18-13-15(22)7-10-17(18)21(28)25-24-19/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,28)(H,23,24,27)
InChIKeyUXQMUZCLUDXFMM-UHFFFAOYSA-N
XLogP3.04
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
N-(6-amino-3-pyridinyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119516313
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
N-[5-[2-(diethylamino)ethoxy]-2-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide
CID 86305044
N-(6-amino-1,3-benzodioxol-5-yl)-4-[2-(diethylamino)ethoxy]benzamide
CID 119618898
N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119629951
N-[3-[2-(diethylamino)ethoxy]-5-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide
CID 86302829
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
2-[4-[(1Z,3E)-2-chloro-1-(4-fluorophenyl)-3-methylpenta-1,3-dienyl]phenoxy]-N,N-diethylethanamine
CID 164901752
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide (CID 171835384) is 4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide is CCN(CC)CCOc1ccc(C(=O)Nc2n[nH]c(=O)c3ccc(F)cc23)cc1.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide?
The InChIKey is UXQMUZCLUDXFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-3-26(4-2)11-12-29-16-8-5-14(6-9-16)20(27)23-19-18-13-15(22)7-10-17(18)21(28)25-24-19/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,28)(H,23,24,27).
What are the key properties of 4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide?
4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide has a molecular weight of 398.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]-N-(7-fluoro-4-oxo-3H-phthalazin-1-yl)benzamide is sourced from PubChem (CID 171835384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).